SCHEMBL7699243

SCHEMBL7699243

CN(C)c1cccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2ccccc2-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 2/20 0.45
SIRT1 Q96EB6 1/20 0.45
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
IKBKB O14920 2/20 0.40
HPGD P15428 2/20 0.40
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TACR1 P25103 1/20 0.39
GAA P10253 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7699232 0.89 ALDH1A1 (0.47) TP53ALDH1A1KDM4EMAPTSIRT1
SCHEMBL7701056 0.88 MAPT (0.47) TP53ALDH1A1KDM4EMAPTSIRT1
SCHEMBL7695157 0.84 IKBKB (0.48) TP53ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL7698726 0.83 LMNA (0.47) MAPTPOLBIKBKBLMNA
SCHEMBL7693804 0.82 IKBKB (0.45) TP53ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL7701939 0.81 HSP90AA1 (0.47) TP53ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL7693979 0.81 IKBKB (0.42) TP53ALDH1A1KDM4EMAPTSIRT1
SCHEMBL7697947 0.81 KMT2A (0.47) TP53ALDH1A1KDM4EMAPTTSHR
SCHEMBL7697561 0.81 POLB (0.54) ALDH1A1KDM4ESIRT1TSHRPOLB
SCHEMBL7699216 0.80 IKBKB (0.41) TP53ALDH1A1KDM4EMAPTSIRT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed